5POO
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10966a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.826, 56.433, 101.619 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.040 - 1.499 |
R-factor | 0.1993 |
Rwork | 0.198 |
R-free | 0.23020 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5amf |
RMSD bond length | 0.011 |
RMSD bond angle | 1.278 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.040 | 29.040 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.060 | 0.042 | 0.786 |
Rmeas | 0.065 | 0.045 | 0.853 |
Rpim | 0.025 | 0.018 | 0.326 |
Total number of observations | 344619 | 4318 | 24810 |
Number of reflections | 52070 | ||
<I/σ(I)> | 15.7 | 43.7 | 2.6 |
Completeness [%] | 99.7 | 98.8 | 99.2 |
Redundancy | 6.6 | 6.3 | 6.6 |
CC(1/2) | 0.999 | 0.998 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |